Chloride → 2-Methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one

HRID 678386Notes

Reaction equation

HRID 678386 reaction equation
[Al+3:22].[CH3:1][c:2]1[o:3][c:4]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:5]([C:7](=[O:8])[Cl:9])[n:6]1.[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[Cl-:21].[Cl-:23].[Cl-:24].[S:18]=[C:19]=[S:20]>>[CH3:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[C:7](=[O:8])[c:13]1[c:12]([cH:17][cH:16][cH:15][cH:14]1)[CH2:11][CH2:10]2

Participants

6

Reactant 5

HCID 312Chloride3×HCID 6348Carbon DisulfideHCID 8857Ethyl AcetateHCID 104727Aluminum CationHCID 214177332-Methyl-5-(2-phenylethyl)-1,3-oxazole-4-carbonyl chloride

Product 1

HCID 122003742-Methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one

Sources & evidence

ORD record
ord-be8668845e744309b70b5e6b706fbe46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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